- InChI
- InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3
- InChI Key
- LLLFASISUZUJEQ-UHFFFAOYSA-N
- Formula
- C12H16ClNOS
- SMILES
- CCN(CC)C(=O)SCc1ccccc1Cl
- Molecular Weight1
- 257.78
- CAS
- 34622-58-7
- Other Names
-
- Carbamic acid, diethylthio-, S-(o-chlorobenzyl) ester
- B 3356
- Carbamothioic acid, diethyl-, S-((2-chlorophenyl)methyl) ester
- S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate
- Diethylthiocarbamic acid S-(o-chlorobenzyl) ester
- Lanray
- Orthobencarb
- Carbamothioic acid, N,N-diethyl-, S-[(2-chlorophenyl)methyl] ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5203 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.035 | Crippen Calculated Property | |
| McVol | 196.320 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Tboil | 584.37 | K | Relay (1.0) Calculated Property |
| Tc | 806.91 | K | Relay (1.0) Calculated Property |
| Tfus | 304.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.62; 557.91] | J/mol×K | [678.14; 904.46] | 
|
| Cp,gas | 486.62 | J/mol×K | 678.14 | Joback Calculated Property |
| Cp,gas | 500.93 | J/mol×K | 715.86 | Joback Calculated Property |
| Cp,gas | 514.20 | J/mol×K | 753.58 | Joback Calculated Property |
| Cp,gas | 526.49 | J/mol×K | 791.30 | Joback Calculated Property |
| Cp,gas | 537.84 | J/mol×K | 829.02 | Joback Calculated Property |
| Cp,gas | 548.30 | J/mol×K | 866.74 | Joback Calculated Property |
| Cp,gas | 557.91 | J/mol×K | 904.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Orbencarb.
Sources
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